General Information of the Compound
| Compound ID |
CP0268597
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| Compound Name |
(E)-1-(4-tert-butylphenylsulfonyl)-5-phenyl-2,3,4,7-tetrahydro-1H-azepine
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| Structure |
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| Formula |
C22H27NO2S
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| Molecular Weight |
369.53
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)N1CCCC(=CC1)c1ccccc1
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| InChI |
InChI=1S/C22H27NO2S/c1-22(2,3)20-11-13-21(14-12-20)26(24,25)23-16-7-10-19(15-17-23)18-8-5-4-6-9-18/h4-6,8-9,11-15H,7,10,16-17H2,1-3H3
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| InChIKey |
NFTCNPYILCTXCO-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound